[(2S)-3-phenyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoyl] 3,5-dinitrobenzoate

Systemtic Name: [(2S)-3-phenyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoyl] 3,5-dinitrobenzoate Openeye Name: [(2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-phenyl-propanoyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2S)-1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-3-phenylpropyl] ester IUPAC Name: [(2S)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-phenyl-propanoyl] ester Formula: C26H22N4O10 MolecularWeight: 550.47368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H22N4O10/c31-23(15-27-26(34)39-16-18-9-5-2-6-10-18)28-22(11-17-7-3-1-4-8-17)25(33)40-24(32)19-12-20(29(35)36)14-21(13-19)30(37)38/h1-10,12-14,22H,11,15-16H2,(H,27,34)(H,28,31)/t22-/m0/s1